| CAS Number | 2126177-38-4 |
| Catalog Number | AG01EL9N |
| Chemical Name | 4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine hydrochloride |
| IUPAC Name | 4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine;hydrochloride |
| InChI | InChI=1S/C13H18BrNO.ClH/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12;/h3-6,10-11H,7-9H2,1-2H3;1H |
| InChI Key | VOILBQVKDQZIOX-UHFFFAOYSA-N |
| MDL Number | MFCD30752711 |
| Molecular Formula | C13H19BrClNO |
| Molecular Weight | 320.6531 |
| SMILES | Cl.CC1OC(C)CN(CC2=CC=C(Br)C=C2)C1 |
| Synonyms | 4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine hydrochloride,
2126177-38-4,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.655g/mol |
| Monoisotopic Mass | 319.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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